SCHEMBL5075640

SCHEMBL5075640

CC(c1ccccc1)N(C)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
UGT2B7 P16662 1/20 0.44
NUDT1 P36639 1/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
KCNH2 Q12809 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
BCHE P06276 1/20 0.39
AOC3 Q16853 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14283528 0.82 KDM4E (0.49) KDM4EUGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL6543516 0.81 UGT2B7 (0.53) KDM4EUGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL31175221 0.80 SLC6A2 (0.47) KDM4ENUDT1SLC6A2SLC6A4CYP2D6
SCHEMBL2232118 0.80 SLC6A2 (0.47) KDM4ENUDT1SLC6A2SLC6A4CYP2D6
SCHEMBL27318023 0.78 SLC6A2 (0.44) KDM4EUGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL5170037 0.77 KDM4E (0.49) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL29643320 0.77 KDM4E (0.49) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL6659711 0.77 KDM4E (0.49) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL660494 0.77 KDM4E (0.49) KDM4EUGT2B7HTTNPSR1L3MBTL1
SCHEMBL17830829 0.77 SLC6A2 (0.50) KDM4ENUDT1SLC6A2SLC6A4KDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 EP disclosed
EP-1884509-A1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF Takasago International Corporation (JP) 2008-02-06 EP disclosed